General Information of the Compound
| Compound ID |
CP0359272
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| Compound Name |
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C28H31N7O4
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| Molecular Weight |
529.601
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| Canonical SMILES |
CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@@H](C(=O)N5CC(C5)C#N)C(C)(C)C)c4n3)cc12
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| InChI |
InChI=1S/C28H31N7O4/c1-15(36)32-21-8-6-17-5-7-18(9-19(17)21)39-22-12-31-25-23(33-22)20(11-30-25)26(37)34-24(28(2,3)4)27(38)35-13-16(10-29)14-35/h5,7,9,11-12,16,21,24H,6,8,13-14H2,1-4H3,(H,30,31)(H,32,36)(H,34,37)/t21-,24+/m1/s1
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| InChIKey |
WZRKPAUVPLLULB-QPPBQGQZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound